Products 1228591-30-7
CAS 1228591-30-7 appears in our catalog under these names: N-[7-cyano-6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide, 95%, TAK-632/ 98.92% (existing batch purity), TAK–632, TAK 632, TAK-632. Offered by: Combi-blocks, TargetMol, GLPBio, Biosynth, Chemat. Available pack sizes: 250mg, 5mg, 10mg, 25mg, 50mg, 100mg, 200mg, 10mM (in 1ml dmso).
TAK-632 is a member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAFV600E, BRAFWT, respectively. It has a role as a necroptosis inhibitor, an antineoplastic agent, an apoptosis inducer, a B-Raf inhibitor and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a secondary carboxamide, a nitrile, an aromatic ether, a member of benzothiazoles, a cyclopropylcarboxamide, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.
Source: ChEBI
| Molecular formula | C27H18F4N4O3S |
|---|---|
| Molecular weight | 554.5 g/mol |
| IUPAC name | N-[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide |
| InChIKey | OJFKUJDRGJSAQB-UHFFFAOYSA-N |
| SMILES | C1CC1C(=O)NC2=NC3=C(S2)C(=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)C#N |
Computed by PubChem (NCBI)